![N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide structure](/static/products/1090/109018-79-3.webp)
N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
TL;DR: N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide (CAS 109018-79-3) is a chemical compound with molecular formula C12H12Cl2N2O4 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
Also Known As: 2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone, N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide, N,N'-(2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)dipropanamide, N,Na(2)-(2,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[propanamide], N-(2,5-dichloro-3,6-diketo-4-propionamido-cyclohexa-1,4-dien-1-yl)propionamide
| Molecular Formula | C12H12Cl2N2O4 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.01743 |
| Heavy Atoms | 20 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 109018-79-3 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl |
| InChIKey | KKSCCSVQHNQDBX-UHFFFAOYSA-N |
Product Overview
N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide (CAS 109018-79-3), with molecular formula C12H12Cl2N2O4 and molecular weight 318.02 g/mol. IUPAC: N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide.
Chemical Property Profile of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
Property Insights of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide. Following Lipinski's Rule of Five, N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide?
The CAS number of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide is 109018-79-3.
What is the molecular formula of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide?
The molecular formula of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide is C12H12Cl2N2O4.
What is the molecular weight of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide?
The molecular weight of N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide is 318.02 g/mol.
Where can I buy N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide?
You can request a quote for N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.